methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate

C15H27NO3 — CID 70955867

IUPACmethyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate
SMILESCCC(C(=O)C1CCN(C(=O)OC)CC1)C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-6-12(15(2,3)4)13(17)11-7-9-16(10-8-11)14(18)19-5/h11-12H,6-10H2,1-5H3
InChIKeyJTOIRKWUTVWQHY-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds3

About methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate

methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate (PubChem CID 70955867) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate
PubChem CID70955867
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate
SMILESCCC(C(=O)C1CCN(C(=O)OC)CC1)C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-6-12(15(2,3)4)13(17)11-7-9-16(10-8-11)14(18)19-5/h11-12H,6-10H2,1-5H3
InChIKeyJTOIRKWUTVWQHY-UHFFFAOYSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate (CID 70955867) is methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate is CCC(C(=O)C1CCN(C(=O)OC)CC1)C(C)(C)C.
What is the InChIKey of methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate?
The InChIKey is JTOIRKWUTVWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-12(15(2,3)4)13(17)11-7-9-16(10-8-11)14(18)19-5/h11-12H,6-10H2,1-5H3.
What are the key properties of methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate?
methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate is sourced from PubChem (CID 70955867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).